CID 167683

Leucodin

Structural Information

Molecular Formula
C15H18O3
SMILES
C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C
InChI
InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10-,13-,14-/m0/s1
InChIKey
BJPSSVHNEGMBDQ-NUZBWSBOSA-N
Compound name
(3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

73
Patents

246.1256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.132876 153.4
[M+Na]+ 269.114818 162.0
[M-H]- 245.118324 161.5
[M+NH4]+ 264.159423 174.8
[M+K]+ 285.088758 162.0
[M+H-H2O]+ 229.122860 151.1
[M+HCOO]- 291.123801 172.1
[M+CH3COO]- 305.139451 198.2
[M+Na-2H]- 267.100266 153.5
[M]+ 246.12505142 152.7
[M]- 246.12614858 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe